1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one

C10H10Cl2O2 — CID 103452878

IUPAC1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-9(13)10(14)7-5-6(11)3-4-8(7)12/h3-5,9,13H,2H2,1H3
InChIKeyZZDHWLMPXFESFR-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one

1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one (PubChem CID 103452878) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one
PubChem CID103452878
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-2-9(13)10(14)7-5-6(11)3-4-8(7)12/h3-5,9,13H,2H2,1H3
InChIKeyZZDHWLMPXFESFR-UHFFFAOYSA-N
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114874019
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3-(2,5-dichlorophenyl)-2-methyl-3-oxopropanenitrile
CID 43157311
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-one
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1-(5-chloro-2-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
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1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135
1-(2,5-dichlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 115807317
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
1-(2,4-dichlorophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923109
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
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1-(2,5-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724057

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one (CID 103452878) is 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one is CCC(O)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one?
The InChIKey is ZZDHWLMPXFESFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-2-9(13)10(14)7-5-6(11)3-4-8(7)12/h3-5,9,13H,2H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one?
1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one has a molecular weight of 233.09 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one is sourced from PubChem (CID 103452878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).